#------------------------------------------------------------------------------
#$Date: 2010-01-30 13:59:17 +0000 (Sat, 30 Jan 2010) $
#$Revision: 966 $
#$URL: svn://www.crystallography.net/cod/cif/1/1008270.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/
#
# All data on this site have been placed in the public domain by the
# contributors.
#
data_1008270
_chemical_name_systematic          'Telluric acid dipotassium nitrate dihydrate'
_chemical_formula_structural       'Te (O H)6 K2 (N O3)2 (H2 O)2'
_chemical_formula_sum              'H10 K2 N2 O14 Te'
_publ_section_title
;
Crystal structure of Te(O H)~6~ * 2 K N O~3~ * 2 H~2~ O: an addition
compound of telluric acid
;
loop_
_publ_author_name                  'Averbuch-Pouchot, M T'
_journal_name_full
;
Zeitschrift fuer Kristallographie (149,1979-)
;
_journal_coden_ASTM                ZEKRDZ
_journal_volume                    167
_journal_year                      1984
_journal_page_first                247
_journal_page_last                 252
_cell_length_a                     13.34(1)
_cell_length_b                     7.160(5)
_cell_length_c                     6.939(5)
_cell_angle_alpha                  90
_cell_angle_beta                   100.14
_cell_angle_gamma                  90
_cell_volume                       652.4
_cell_formula_units_Z              2
_symmetry_space_group_name_H-M     'P 1 21/a 1'
_symmetry_Int_Tables_number        14
_symmetry_cell_setting             monoclinic
loop_
_symmetry_equiv_pos_as_xyz
  'x,y,z'
  '1/2-x,1/2+y,-z'
  '-x,-y,-z'
  '1/2+x,1/2-y,z'
loop_
_atom_type_symbol
_atom_type_oxidation_number
  Te6+   6.000
  K1+    1.000
  O2-   -2.000
  N5+    5.000
  H1+    1.000
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_symmetry_multiplicity
_atom_site_Wyckoff_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
_atom_site_attached_hydrogens
_atom_site_calc_flag
  Te1   Te6+   2 a 0. 0. 0. 1.  0 d
  K1    K1+    4 e 0.15917(5) -0.0194(1) 0.49110(9) 1.  0 d
  O1    O2-    4 e 0.4418(2) 0.2844(3) 0.8585(3) 1.  0 d
  O2    O2-    4 e 0.4740(2) 0.4003(3) 0.2417(3) 1.  0 d
  O3    O2-    4 e 0.1315(2) 0.1151(3) 0.0551(4) 1.  0 d
  O4    O2-    4 e 0.3380(2) 0.1207(4) 0.4031(5) 1.  0 d
  O5    O2-    4 e 0.1508(3) 0.3260(4) 0.6421(5) 1.  0 d
  O6    O2-    4 e 0.0442(2) 0.5143(4) 0.7445(4) 1.  0 d
  O7    O2-    4 e 0.2827(2) -0.0080(5) 0.8644(4) 1.  0 d
  N1    N5+    4 e 0.3806(2) -0.0139(4) 0.3419(4) 1.  0 d
  H1    H1+    4 e 0.991(4) 0.302(7) 0.806(7) 1.  0 d
  H2    H1+    4 e 0.473(3) 0.294(7) 0.240(7) 1.  0 d
  H3    H1+    4 e 0.189(5) 0.075(9) 0.983(9) 1.  0 d
  H4    H1+    4 e 0.188(4) 0.395(8) 0.133(8) 1.  0 d
  H5    H1+    4 e 0.331(4) 0.094(9) 0.869(8) 1.  0 d
_refine_ls_R_factor_all            0.023
_cod_database_code 1008270